652-81-3 (6-Amino-NADP,Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'→5'-ester with 1,6-dihydro-6-imino-1-β-D-ribofuranosyl-3-pyridinecarboxamide (9CI))

CAS号:
652-81-3
中文名称:
6-Amino-NADP
英文名称:
Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'→5'-ester with 1,6-dihydro-6-imino-1-β-D-ribofuranosyl-3-pyridinecarboxamide (9CI)
分子式:
C21H29N8O17P3
分子量:
758.419646978378

6-Amino-NADP(652-81-3)名称与标识符

名称

英文别名:
6-amino-NAD;Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-5'-ester with 2-amino-5-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium inner salt;CID 138756718; 6-Aminonicotinamide-ADP; 6-Aminonicotinamide adenine dinucleotide phosphate; 6-Amino-NADP;Pyridinium, 2-amino-5-carbamoyl-1-β-D-ribofuranosyl-, hydroxide, 5'→5'-ester with adenosine 2'-(dihydrogen phosphate) 5'- (trihydrogen pyrophosphate), inner salt (8CI);Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'→5'-ester with 1,6-dihydro-6-imino-1-β-D-ribofuranosyl-3-pyridinecarboxamide;652-81-3;Pyridinium, 2-amino-5-carbamoyl-1-β-D-ribofuranosyl-, hydroxide, 5'→5'-ester with adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), inner salt (8CI);6-Amino-NADP;6-Aminonicotinamide adenine dinucleotide phosphate;6-Aminonicotinamide-ADP;

标识符

InChIKey:
YLGJLTSNMKQDSU-CQRPQIHWSA-N
Inchi:
1S/C21H29N8O17P3/c22-11-2-1-8(18(24)33)3-28(11)20-15(32)13(30)9(43-20)4-41-48(37,38)46-49(39,40)42-5-10-14(31)16(45-47(34,35)36)21(44-10)29-7-27-12-17(23)25-6-26-19(12)29/h1-3,6-7,9-10,13-16,20-22,30-32H,4-5H2,(H8,23,24,25,26,33,34,35,36,37,38,39,40)/t9-,10+,13-,14-,15-,16+,20+,21?/m0/s1
SMILES:
P(=O)([O-])(O)O[C@H]1C(N2C=NC3C(N)=NC=NC2=3)O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2[C@@H]([C@@H]([C@H]([N+]3C=C(C(N)=O)C=CC=3N)O2)O)O)[C@@H]1O

6-Amino-NADP(652-81-3)物化性质

计算特性

  • 精确分子量 : 758.08635248g/mol
  • 氢键供体数量 : 9
  • 氢键受体数量 : 22
  • 可旋转化学键数量 : 13
  • 同位素质量 : 758.08635248g/mol
  • 重原子数量 : 49
  • 复杂度 : 1330
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 7
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -7.4
  • 拓扑分子极性表面积 : 394

6-Amino-NADP(652-81-3)推荐厂家 更多厂家(1)

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